SCHEMBL6851610

SCHEMBL6851610

COc1cc(C=C2CCC(=Cc3ccc(O)c(OC)c3)C2=O)ccc1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 1.00
MEN1 O00255 4/20 1.00
KMT2A Q03164 4/20 1.00
MAPK1 P28482 3/20 1.00
POLB P06746 3/20 1.00
CYP3A4 P08684 2/20 1.00
KDM4E B2RXH2 2/20 1.00
CYP1A2 P05177 1/20 1.00
CYP2C9 P11712 1/20 1.00
THRB P10828 1/20 1.00
ATM Q13315 1/20 1.00
JUN P05412 1/20 0.89
MME P08473 1/20 0.89
NFKB1 P19838 1/20 0.89
NOD2 Q9HC29 1/20 0.89
LMNA P02545 4/20 0.76
GAA P10253 3/20 0.76
L3MBTL1 Q9Y468 2/20 0.76
ALDH1A1 P00352 2/20 0.76
JAK2 O60674 1/20 0.76

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6852865 1.00 MAPT (1.00) MAPTMEN1KMT2AMAPK1POLB
SCHEMBL24510580 1.00 MAPT (1.00) MAPTMEN1KMT2AMAPK1POLB
SCHEMBL29857079 1.00 MAPT (1.00) MAPTMEN1KMT2AMAPK1POLB
Cyclovalone SCHEMBL1151847 0.94 MEN1 (1.00) MAPTMEN1KMT2AMAPK1POLB
Cyclovalone SCHEMBL29929726 0.94 MEN1 (1.00) MAPTMEN1KMT2AMAPK1POLB
Cyclovalone SCHEMBL554417 0.94 MEN1 (1.00) MAPTMEN1KMT2AMAPK1POLB
Cyclovalone SCHEMBL554418 0.94 MEN1 (1.00) MAPTMEN1KMT2AMAPK1POLB
SCHEMBL27912169 0.92 MAPT (0.84) MAPTMEN1KMT2AMAPK1POLB
SCHEMBL27912181 0.92 MAPT (0.84) MAPTMEN1KMT2AMAPK1POLB
SCHEMBL1524309 0.90 MAPT (0.82) MAPTMEN1KMT2AMAPK1POLB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6777447-B2 ANTIINFLAMMATORY AGENTS, BACTERICIDES, OXIDATION RESISTANCE, ANTICANCER AGENTS GADJAH MADA, FACULTY OF PHARMACY, UNIVERSITY OF, THE (ID) 2004-08-17 US claimed
US-20030092772-A1 Derivatives of benzylidene cyclohexanone, benzylidene cyclopentanone, and benzylidene acetone, and therapeutic uses thereof GADJAH MADA, FACULTY OF PHARMACY, UNIVERSITY OF, THE (ID) 2003-05-15 US claimed
US-6777447-B2 ANTIINFLAMMATORY AGENTS, BACTERICIDES, OXIDATION RESISTANCE, ANTICANCER AGENTS GADJAH MADA, FACULTY OF PHARMACY, UNIVERSITY OF, THE (ID) 2004-08-17 US disclosed
US-20030092772-A1 Derivatives of benzylidene cyclohexanone, benzylidene cyclopentanone, and benzylidene acetone, and therapeutic uses thereof GADJAH MADA, FACULTY OF PHARMACY, UNIVERSITY OF, THE (ID) 2003-05-15 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030092772-A1 Derivatives of benzylidene cyclohexanone, benzylidene cyclopentanone, and benzylidene acetone, and therapeutic uses thereof GSTK1, GSTP1, CAT MAPT 3557/4885MEN1 4884/4885KMT2A 4769/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.